5UXU

YfeA from Yersinia pestis treated with EDTA during purification and crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.28229
Spacegroup name	P 21 21 21
Unit cell lengths	55.319, 66.875, 81.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.846 - 1.839
R-factor	0.1728
Rwork	0.170
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	HKL-2000 (v712)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.870
High resolution limit [Å]	1.839	1.840
Rmerge	0.066	0.171
Rpim	0.042	0.122
Number of reflections	26517	1199
<I/σ(I)>	48.9	0.5
Completeness [%]	98.0	90.6
Redundancy	3.3	2.6
CC(1/2)	0.995	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293.15	2mM EDTA, 30% PEG4000, 20mM Bis-tris propane, 50mM sodium chloride, 0.05% w/v sodium azide